Exact Mass: 352.0804586
Exact Mass Matches: 352.0804586
Found 421 metabolites which its exact mass value is equals to given mass value 352.0804586,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Daphnoretin
Daphnoretin (Dephnoretin), isolated from Wikstroemia indica, possesses antiviral activity[1]. Daphnoretin likes PMA, may direct activation of protein kinase C which in turn activated NADPH oxidase and elicited respiratory burst[2]. Daphnoretin (Dephnoretin), isolated from Wikstroemia indica, possesses antiviral activity[1]. Daphnoretin likes PMA, may direct activation of protein kinase C which in turn activated NADPH oxidase and elicited respiratory burst[2].
Petunidin
Petunidin chloride is an anthocyanidin chloride that has petunidin as the cationic component. It has a role as a metabolite. An anthocyanidin chloride that has petunidin as the cationic component.
4-Methylumbelliferone glucuronide
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Griseofulvin
Griseofulvin is only found in individuals that have used or taken this drug. It is an antifungal antibiotic. Griseofulvin may be given by mouth in the treatment of tinea infections. [PubChem]Griseofulvin is fungistatic, however the exact mechanism by which it inhibits the growth of dermatophytes is not clear. It is thought to inhibit fungal cell mitosis and nuclear acid synthesis. It also binds to and interferes with the function of spindle and cytoplasmic microtubules by binding to alpha and beta tubulin. It binds to keratin in human cells, then once it reaches the fungal site of action, it binds to fungal microtubes thus altering the fungal process of mitosis. D - Dermatologicals > D01 - Antifungals for dermatological use > D01B - Antifungals for systemic use > D01BA - Antifungals for systemic use D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AA - Antibiotics D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent Griseofulvin(Gris-PEG; Grifulvin) is a spirocyclic fungal natural product used in treatment of fungal dermatophytes; Antifungal drug.
Hexythiazox
C17H21ClN2O2S (352.10121960000004)
a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid
a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid is isolated from the enzymic hydrolysate of pectin produced by the pectin-trans eliminase from Bacillus polymyxa or commercial pectinase. Isolated from the enzymic hydrolysate of pectin produced by the pectin-trans eliminase from Bacillus polymyxa or commercial pectinase
savinin
A lignan that is dihydrofuran-2(3H)-one (gamma-butyrolactone) substituted by a 1,3-benzodioxol-5-ylmethylidene group at position 3 and a 1,3-benzodioxol-5-ylmethyl group at position 4 (the 3E,4R-isomer). It exhibits antiviral activity against SARS-CoV-2.
Penicilloic acid
C16H20N2O5S (352.10928700000005)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams Penicilloic acid is a metabolite of penicillin v; penicillin g.
4-[2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene]-2-hydroxy-2-pentenedioate
7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
C20H16O4S (352.07692560000004)
This compound belongs to the family of Phenanthrenes and Derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
Daphnoretin
Daphnoretin is a member of the class of coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 6 and a (2-oxo-2H-chromen-7-yl)oxy group at position 3. It has a role as a metabolite, an antiviral agent and an antineoplastic agent. It is a hydroxycoumarin and an aromatic ether. It is functionally related to a coumarin. Daphnoretin is a natural product found in Coronilla scorpioides, Edgeworthia chrysantha, and other organisms with data available. A member of the class of coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 6 and a (2-oxo-2H-chromen-7-yl)oxy group at position 3. Daphnoretin (Dephnoretin), isolated from Wikstroemia indica, possesses antiviral activity[1]. Daphnoretin likes PMA, may direct activation of protein kinase C which in turn activated NADPH oxidase and elicited respiratory burst[2]. Daphnoretin (Dephnoretin), isolated from Wikstroemia indica, possesses antiviral activity[1]. Daphnoretin likes PMA, may direct activation of protein kinase C which in turn activated NADPH oxidase and elicited respiratory burst[2].
Cyclocommunol
Cyclocommunol is an extended flavonoid. Cyclocommunol is a natural product found in Artocarpus altilis with data available. Cyclocommunol is found in breadfruit. Cyclocommunol is isolated from the root bark of Artocarpus communi (breadfruit). Isolated from the root bark of Artocarpus communi (breadfruit). Cyclocommunol is found in breadfruit and fruits.
Citrusinol
Citrusinol is an extended flavonoid. Citrusinol is a natural product found in Phyllodium pulchellum, Citrus nobilis, and other organisms with data available. Citrusinol is found in citrus. Citrusinol is isolated from root bark of king orange (Citrus nobilis). Isolated from root bark of king orange (Citrus nobilis). Citrusinol is found in citrus.
Triflupromazine
Triflupromazine is only found in individuals that have used or taken this drug. It is a phenothiazine used as an antipsychotic agent and as an antiemetic. [PubChem]Triflupromazine binds to the dopamine D1 and dopamine D2 receptors and inhibits their activity. The mechanism of the anti-emetic effect is due predominantly to blockage of the dopamine D2 neurotransmitter receptors in the chemoreceptor trigger zone (CTZ) and vomiting centre. Triflupromazine blocks the neurotransmitter dopamine and the vagus nerve in the gastrointestinal tract. Triflupromazine also binds the muscarinic acetylcholine receptors (M1 and M2) and the tryptamine D receptors (5HT2B). N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics
Halazepam
Halazepam is a benzodiazepine derivative. It possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. It is a trifluoromethyl derivative of nordazepam. While its structure may be similar to chlordiazepoxide and diazepam, it has both less toxicity and less tendency to cause paradoxical hostility and aggression than either of them. [Wikipedia] D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Chlorogenoquinone
Forms coloured adducts with amino acids and peptides, implicated in food discolouration. Chlorogenoquinone is found in many foods, some of which are wild carrot, carrot, blackcurrant, and pear. Chlorogenoquinone is found in blackcurrant. Chlorogenoquinone forms coloured adducts with amino acids and peptides, implicated in food discolouratio
13alpha-Hydroxydolineone
13alpha-Hydroxydolineone is found in jicama. 13alpha-Hydroxydolineone is a constituent of Pachyrrhizus erosus (yam bean) Constituent of Pachyrrhizus erosus (yam bean). 13alpha-Hydroxydolineone is found in jicama and pulses.
Lupinisoflavone A
Isolated from Cajanus cajan (pigeon pea). Lupinisoflavone A is found in pigeon pea, pulses, and white lupine. Lupinisoflavone A is found in pigeon pea. Lupinisoflavone A is isolated from Cajanus cajan (pigeon pea).
Cycloartocarpesin
Cycloartocarpesin is found in fruits. Cycloartocarpesin is isolated from Artocarpus heterophyllus (jackfruit). Isolated from Artocarpus heterophyllus (jackfruit). Cycloartocarpesin is found in jackfruit and fruits.
Semilicoisoflavone B
Semilicoisoflavone B is found in root vegetables. Semilicoisoflavone B is a constituent of licorice (Glycyrrhiza sp.) Constituent of licorice (Glycyrrhiza species). Semilicoisoflavone B is found in root vegetables.
Parvisoflavone A
Parvisoflavone A is found in pulses. Parvisoflavone A is isolated from Phaseolus aureus (mung bean). Isolated from Phaseolus aureus (mung bean). Parvisoflavone A is found in pulses.
Decarbamoylgonyautoxin III
Decarbamoylgonyautoxin II is found in mollusks. Decarbamoylgonyautoxin II is isolated from various shellfish. Isolated from various shellfish. Decarbamoylgonyautoxin III is found in mollusks.
3-(2,4-Dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-5-one
3-(2,4-Dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-5-one is found in pulses. 3-(2,4-Dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-5-one is isolated from seedlings of Cajanus cajan (pigeon pea). Isolated from seedlings of Cajanus cajan (pigeon pea). 3-(2,4-Dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-5-one is found in pulses.
N-(Carbethoxyacetyl)-4-chloro-L-tryptophan
N-(Carbethoxyacetyl)-4-chloro-L-tryptophan is found in pulses. N-(Carbethoxyacetyl)-4-chloro-L-tryptophan is isolated from Pisum sativum (pea Isolated from Pisum sativum (pea). N-(Carbethoxyacetyl)-4-chloro-L-tryptophan is found in pulses and common pea.
Cotinine glucuronide
Cotinineglucuronide is a natural human metabolite of Cotinine generated in the liver by UDP glucuonyltransferase. A cotinine derviative that is dervied through glucuronidation by UDP-glucuronosyltransferases (UGTs) in the liver. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys.
3'-O-Methyl-(-)-epicatechin-5-O-sulphate
3-O-Methyl-(-)-epicatechin-5-O-sulphate is an urinary and gut-derived metabolite of epicatechin.
4'-O-Methyl-(-)-epicatechin-5-O-sulphate
4-O-Methyl-(-)-epicatechin-5-O-sulphate is an urinary and gut-derived metabolite of epicatechin.
4'-O-Methyl-(-)-epicatechin-7-O-sulphate
4-O-Methyl-(-)-epicatechin-7-O-sulphate is an urinary and gut-derived metabolite of epicatechin.
Acetamide, N-(4-(((2,6-dimethoxy-4-pyrimidinyl)amino)sulfonyl)phenyl)-
4-Methyl-2-oxo-2H-1-benzopyran-7-yl alpha-L-ido-pyranosiduronic acid
Roxadustat
B - Blood and blood forming organs > B03 - Antianemic preparations C471 - Enzyme Inhibitor Roxadustat is an orally active hypoxia-inducible factor (HIF) prolyl-hydroxylase (PHD) inhibitor (HIF-PHI) that promotes erythropoiesis through increasing endogenous erythropoietin, improving iron regulation, and reducing hepcidin[1].
Hexythiazox
C17H21ClN2O2S (352.10121960000004)
N(4)-Acetylsulfadimethoxine
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
N4-Acetyl Sulfadoxine
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
s-Nitroglutathione
5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole
2-(5-Chloro-2-fluorophenyl)-N-(pyridin-4-yl)pteridin-4-amine
Viridin
alpha-N-Carboethoxyacetyl-4-chloro-D-tryptophan
Alpha-n-carboethoxyacetyl-4-chloro-d-tryptophan is a member of the class of compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Alpha-n-carboethoxyacetyl-4-chloro-d-tryptophan is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Alpha-n-carboethoxyacetyl-4-chloro-d-tryptophan can be found in common pea, which makes alpha-n-carboethoxyacetyl-4-chloro-d-tryptophan a potential biomarker for the consumption of this food product.
5-amino-6-(5-phospho-D-ribosylamino)uracil
5-amino-6-(5-phospho-d-ribosylamino)uracil is a member of the class of compounds known as pentose phosphates. Pentose phosphates are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. 5-amino-6-(5-phospho-d-ribosylamino)uracil is soluble (in water) and a moderately acidic compound (based on its pKa). 5-amino-6-(5-phospho-d-ribosylamino)uracil can be found in a number of food items such as sunflower, orange bell pepper, mexican groundcherry, and white lupine, which makes 5-amino-6-(5-phospho-d-ribosylamino)uracil a potential biomarker for the consumption of these food products.
Derride
Rubiginone D2
6-(2,4,5-Trimethoxyphenyl)-7H-furo[3,2-g][1]benzopyran-7-one
3,6a,7,10-tetrahydroxy-4,9-dioxo-4,5,6,6a,6b,7,8,9-octahydroperylene
5-O-(3-Chloro-2-hydroxy-3-methylbutyl)-8-methoxypsoralen
3,5,4-Trihydroxy-6,6-dimethylpyrano[2,3:7,6]flavone
Licoisoflavone B
Licoisoflavone B is an isoflavone[1]. Licoisoflavone B inhibits lipid peroxidation with an IC50 of 2.7 μM. Licoisoflavone B is an isoflavone[1]. Licoisoflavone B inhibits lipid peroxidation with an IC50 of 2.7 μM.
Parvisoflavone B
Sophoraisoflavone A
Cycloartocarpesin
Cyclocommunol
12a-Hydroxydolineone
Lupinisoflavone A
Semilicoisoflavone B
A member of the class of 7-hydroxyisoflavones that is 2,2-dimethyl-2H,4H-3,6-bichromen-4-one substituted by hydroxy groups at positions 5, 7 and 8. It has been isolated from Glycyrrhiza uralensis.
2-Propynyl N-[6-(phenylsulfanyl)-5-(trifluoromethyl)-3-pyridinyl]carbamate
FG-4592
B - Blood and blood forming organs > B03 - Antianemic preparations C471 - Enzyme Inhibitor Roxadustat is an orally active hypoxia-inducible factor (HIF) prolyl-hydroxylase (PHD) inhibitor (HIF-PHI) that promotes erythropoiesis through increasing endogenous erythropoietin, improving iron regulation, and reducing hepcidin[1].
N(4)-Acetylsulfadimethoxine
A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 4,6-dimethoxy-pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the sulfonamide antibiotic sulfadimethoxine. D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
(3-hydroxy-5-oxo-4-phenyl-5H-furan-2-ylidene)-(2-methoxy-phenyl)-acetic acid methyl ester|leprapinic acid|Leprapinsaeure
Daphnoretin
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.010 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.011 Daphnoretin (Dephnoretin), isolated from Wikstroemia indica, possesses antiviral activity[1]. Daphnoretin likes PMA, may direct activation of protein kinase C which in turn activated NADPH oxidase and elicited respiratory burst[2]. Daphnoretin (Dephnoretin), isolated from Wikstroemia indica, possesses antiviral activity[1]. Daphnoretin likes PMA, may direct activation of protein kinase C which in turn activated NADPH oxidase and elicited respiratory burst[2].
(+)-12a-Hydroxydolineone|(??)-12a-Hydroxydolineone
7-chloro-2,5,6-trimethoxy-6-methylspiro(benzofuran-2(3H),1-(2)cyclohexene)-3,4-dione|7-chloro-2,5,6-trimethoxy-6-methylspiro[benzofuran-2(3H),1-(2)cyclohexene]-3,4-dione
7-methoxy-6-hydroxy-3,7-dicoumarinic ether|7-Methoxy-6-hydroxy-3,7-dicumarylaether|daphnoretin|rutamontine
5,8-Dihydroxy-7-(4-hydroxy-5-methylcoumarin-3-yl)coumarin
O-beta-D-Glucopyranoside-2,3-Dihydro-5-hydroxy-2-methyl-1,4-naphthoquinone
5,3-dihydroxy-4,4-dimethoxy-2,7-cycloligna-7,7-diene-9,9-lactone
O1-[4-(methyl-[1,3,4]oxadiazol-2-yl)-phenyl]-beta-D-glucopyranuronic acid|O1-[4-(Methyl-[1,3,4]oxadiazol-2-yl)-phenyl]-beta-D-glucopyranuronsaeure
Lachnoisoflavones A, (rac)-
A natural product found in Crotalaria lachnophora.
5-(2S,1R)-hydroxy-2-(1,2-dihydroxy-4-oxo-cyclohexyl)-6,7-dimethoxy-2,3-dihydro-4H-chromen-4-one
3-Methyl-6,8-dihydroxy-13-hydroxymethyl-1,2-(epoxypropano)anthracene-12-ene-9,10,11-trione
3-hydroxy-6-methoxy-7,7-dicoumarinyl ether|neodaphnoretin
7,2,4-trihydroxy-6,6-dimethylpyrano[2,3:5,6]flavone|cycloisoartocarpesin
2-(3,4-methylenedioxyphenyl)-5-[(E)-3-methyl-1-propenoate]-7-methoxybenzofuran|zanthocapensate
Candidusin A
A member of the class of dibenzofurans that is dibenzo[b,d]furan substituted by methoxy groups at positions 6 and 9, hydroxy groups at positions 2 and 3 and a phenolic group at position 7. It has been isolated from Aspergillus taichungensis.
Pinastric acid|[3-hydroxy-4-(4-methoxy-phenyl)-5-oxo-5H-furan-2-ylidene]-phenyl-acetic acid methyl ester|[3-hydroxy-4-(4-methoxy-phenyl)-5-oxo-5H-[2]furylidene]-phenyl-acetic acid methyl ester|[3-Hydroxy-4-(4-methoxy-phenyl)-5-oxo-5H-[2]furyliden]-phenyl-essigsaeure-methylester
ARTOCHAMIN C
An extended flavonoid that is 4H,8H-pyrano[2,3-f]chromen-4-one substituted by a 3,4-dihydroxyphenyl group at position 2, hydroxy group at position 5 and geminal methyl groups at position 8. It is isolated from the roots of Artocarpus chama and exhibits cytotoxicity against a panel of human tumour cell lines like breast adenocarcinoma, ovarian carcinoma, ileocecal carcinoma and melanoma.
N-malonyl(methyl ester)-4-Cl-L-tryptophan methyl ester
2,5,7-trihydroxy-(2,2-dimethylpyrano)-[5,6;3,4]-flavone|mornigrol H
[11-hydroxy-2-(2-oxopropylidene)-5,6-dihydro-2H-1,4-dioxabenzo[de]anthracen-5-yl]acetic acid
Tetra-Ac-6-Hydroxymethyl-2,3,4-trihydroxybenzaldehyde
4-(2-Hydroxy-3-chloro-3-methylbutoxy)-9-methoxy-7H-furo[3,2-g][1]benzopyran-7-one
O1-[3-(methyl-[1,3,4]oxadiazol-2-yl)-phenyl]-beta-D-glucopyranuronic acid|O1-[3-(Methyl-[1,3,4]oxadiazol-2-yl)-phenyl]-beta-D-glucopyranuronsaeure
4-Methoxy-9-(2-hydroxy-3-methyl-3-chlorobutoxy)-7H-furo[3,2-g][1]benzopyran-7-one
LicoisoflavoneB
Licoisoflavone B is a natural product found in Ulex airensis, Sophora moorcroftiana, and other organisms with data available. See also: Glycyrrhiza Glabra (part of); Glycyrrhiza uralensis Root (part of). Licoisoflavone B is an isoflavone[1]. Licoisoflavone B inhibits lipid peroxidation with an IC50 of 2.7 μM. Licoisoflavone B is an isoflavone[1]. Licoisoflavone B inhibits lipid peroxidation with an IC50 of 2.7 μM.
N4-Acetylsulfadimethoxine
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; EAWAG_UCHEM_ID 245 CONFIDENCE standard compound; INTERNAL_ID 2011
4-Methylumbelliferylglucuronide
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes relative retention time with respect to 9-anthracene Carboxylic Acid is 0.488 Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2121; CONFIDENCE confident structure
Griseofulvin
An oxaspiro compound produced by Penicillium griseofulvum. It is used by mouth as an antifungal drug for infections involving the scalp, hair, nails and skin that do not respond to topical treatment. D - Dermatologicals > D01 - Antifungals for dermatological use > D01B - Antifungals for systemic use > D01BA - Antifungals for systemic use D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AA - Antibiotics D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE Reference Standard (Level 1) relative retention time with respect to 9-anthracene Carboxylic Acid is 1.075 Griseofulvin(Gris-PEG; Grifulvin) is a spirocyclic fungal natural product used in treatment of fungal dermatophytes; Antifungal drug.
7-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
(1R)-2-chloro-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione
(12S,12aS,12bR)-4,9,12,12b-tetrahydroxy-2,11,12,12a-tetrahydro-1H-perylene-3,10-dione
methyl 4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2,4-dimethoxybutanoate
3,6-dihydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
4-Methylumbelliferyl glucuronide
CONFIDENCE standard compound; INTERNAL_ID 8327
C17H17ClO6_(2R,6R)-7-Chloro-2,4,6-trimethoxy-6-methyl-3H,4H-spiro[1-benzofuran-2,1-cyclohex[2]ene]-3,4-dione
2,4,11-trioxaspiro[tricyclo[4.4.1.0¹,⁶]undecane-2,3-tricyclo[7.3.1.0⁵,¹³]tridecane]-1(12),3,5,7,8,9(13),10-heptaene-5,7,10-triol
triflupromazine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics
Benzylpenicilloic acid
C16H20N2O5S (352.10928700000005)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
3,6-dihydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione [IIN-based on: CCMSLIB00000847976]
3,6-dihydroxy-8-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione [IIN-based: Match]
methyl 4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2,4-dimethoxybutanoate [IIN-based: Match]
methyl 4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2,4-dimethoxybutanoate [IIN-based on: CCMSLIB00000848099]
2,4,11-trioxaspiro[tricyclo[4.4.1.0¹,⁶]undecane-2,3-tricyclo[7.3.1.0⁵,¹³]tridecane]-1(12),3,5,7,8,9(13),10-heptaene-5,7,10-triol_major
2,4,11-trioxaspiro[tricyclo[4.4.1.0¹,?]undecane-2,3-tricyclo[7.3.1.0?,¹³]tridecane]-1(12),3,5,7,8,9(13),10-heptaene-5,7,10-triol
Ala Cys Cys Gly
Ala Cys Gly Cys
Ala Gly Cys Cys
Cys Ala Cys Gly
Cys Ala Gly Cys
Cys Cys Ala Gly
Cys Cys Gly Ala
Cys Gly Ala Cys
Cys Gly Cys Ala
Cys Gly Ser Ser
C11H20N4O7S (352.10526500000003)
Cys Ser Gly Ser
C11H20N4O7S (352.10526500000003)
Cys Ser Ser Gly
C11H20N4O7S (352.10526500000003)
Gly Ala Cys Cys
Gly Cys Ala Cys
Gly Cys Cys Ala
Gly Cys Ser Ser
C11H20N4O7S (352.10526500000003)
Gly Ser Cys Ser
C11H20N4O7S (352.10526500000003)
Gly Ser Ser Cys
C11H20N4O7S (352.10526500000003)
Ser Cys Gly Ser
C11H20N4O7S (352.10526500000003)
Ser Cys Ser Gly
C11H20N4O7S (352.10526500000003)
Ser Gly Cys Ser
C11H20N4O7S (352.10526500000003)
Ser Gly Ser Cys
C11H20N4O7S (352.10526500000003)
Ser Ser Cys Gly
C11H20N4O7S (352.10526500000003)
Ser Ser Gly Cys
C11H20N4O7S (352.10526500000003)
SC-560
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Halazepam
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Chlorogenoquinone
N-(Carbethoxyacetyl)-4-chloro-L-tryptophan
2',4',5-Trihydroxy-7,8-[2-(1-methylethenyl)furo]isoflavone
5,8-dihydro-4H-spiro[naphtho[1,8-de][1,3]dioxine-2,1-[4a,8a]epoxynaphthalene]-4,5,8-triol
2-Methyl-2-propanyl [2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]carb amate
2-Methylallyl triphenylphosphonium chloride
C22H22ClP (352.11475720000004)
Phosphonium,2-buten-1-yltriphenyl-, chloride (1:1)
C22H22ClP (352.11475720000004)
(Pentafluorophenyl)diphenylphosphine
C18H10F5P (352.04402500000003)
Ethyl 4-acetoxy-7-chloro-5,8-dimethoxy-2-naphthoate
Tinoridine hydrochloride
C17H21ClN2O2S (352.10121960000004)
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
4-O-Des(difluoromethyl) Roflumilast
C16H14Cl2N2O3 (352.03814339999997)
Thioacetic acid S-[4-[4-(phenylethynyl)phenyl]ethynyl]benzene-thiol ester
1,2-Difluor-1,2-bis-[4-trifluormethyl-phenyl]-aethylen
L-Glutamic acid,N-(4-nitrobenzoyl)-, 1,5-diethyl ester
2-CHLORO-N-(4-[4-(2-CHLORO-ACETYLAMINO)-PHENOXY]-PHENYL)-ACETAMIDE
C16H14Cl2N2O3 (352.03814339999997)
(6E)-6-[(2,4-diamino-5-chlorophenyl)hydrazinylidene]-2,4-dinitrocyclohexa-2,4-dien-1-one
6-Bromo-1-(triisopropylsilyl)-1H-pyrrolo[3,2-b]pyridine
C16H25BrN2Si (352.09702699999997)
METHYL 4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-(METHYLSULFONYL)PYRIMIDINE-5-CARBOXYLATE
C16H17FN2O4S (352.08930140000007)
METHYL 5-OXO-6-(2-TRIFLUOROMETHYLPHENYLAMINO)-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYLATE
C17H15F3N2O3 (352.10347160000003)
(s)-3-boc-amino-5-(carboxymethyl)-2,3-dihydro-1,5-benzothiazepin-4(5h)-one
C16H20N2O5S (352.10928700000005)
4-bromo-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine
C16H25BrN2Si (352.09702699999997)
N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
C16H17ClN2O3S (352.06483620000006)
2-[2-(4-Aminobenzamide)ethylsulfonyl]ethanol hydrogen sulfate ester
5-Bromo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
C16H25BrN2Si (352.09702699999997)
2-ACETAMINDO-2-(7-CHLOROINDOL-3-YLMETHYL)PROPANEDIOIC ACID DIMETHYL ESTER
4-(phenanthro 9 10-d!oxazol-2-yl)phe
C22H12N2OS (352.06703020000003)
azanium,(Z)-4-amino-4-oxobut-2-enoate,(Z)-but-2-enedioic acid,styrene
4-(3-BROMO-PHENYL)-1,6-DIMETHYL-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
2-(3-Bromo-5-(cyclopropylmethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
6-Chloro-1,2-dihydro-2-oxospiro[4H-3,1-benzoxazine-4,4-piperidine]-1-carboxylic acid tert-butyl ester
C17H21ClN2O4 (352.11897760000005)
2-benzofuran-1,3-dione,furan-2,5-dione,2-(2-hydroxyethoxy)ethanol
1,2-Di-O-acetyl-5-Benzoyl-3-O-Methyl-D-ribofuranose
4-Thiazolecarboxylic acid, 2-[(2,4,5-trimethoxybenzoyl)amino]-,methylester
2-Bromo-6-(pyrrolidin-1-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
3-Bromo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
C16H25BrN2Si (352.09702699999997)
dimethyl 3,6-diphenyl-1,2,4,5-tetrazine-1,2-dicarboxylate
3-Dimethylaminomethyl-4-(4-methylsulfanyl-phenoxy)-benzenesulfonamide
18-Norandrosta-5,8,11,13-tetraeno[6,5,4-bc]furan-3,7,17-trione, 1-hydroxy-2-methoxy-, (1beta,2beta)-
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid
Uranium hexafluoride
D020011 - Protective Agents > D002327 - Cariostatic Agents > D005459 - Fluorides
2-(1-Benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)acetic acid
IOX2 is a specific prolyl hydroxylase-2 (PHD2) inhibitor with IC50 of 22 nM. IOX2 regulates platelet function and arterial thrombosis by upregulating HIF-1α expression and inhibiting ROS production. IOX2 can be used in the study of thrombotic diseases[1][2].
Stemphyperylenol
An organic polycyclic compound that is 1,2,6b,7,8,12b-hexahydroperylene-3,9-dione which is substituted at positions 1, 4, 7, and 10 by hydroxy groups (the all-S isomer).
9-(Dimethylamino)-3-(4-methoxyphenyl)-4-pyrido[1,2]thieno[3,4-d]pyrimidinone
2-[2-[2-(3-Fluorophenyl)-4-thiazolyl]ethyl]isoindole-1,3-dione
1-[2-[(4-Chlorophenyl)thio]ethyl]-3-(2-methoxyphenyl)thiourea
1-[[[1-(6-Methyl-2-pyridinyl)-4-imidazolyl]-oxomethyl]amino]-3-phenylthiourea
5-[8-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide
(R)-2-Chloro-1,7-dihydroxy-3,9-dimethoxy-1-methyl-1H-benzo[c]chromene-4,6-dione
4-Methyl-2-oxo-2H-1-benzopyran-7-yl beta-D-galactopyranosiduronic acid
(3r)-N-(4-Chlorophenyl)-3-(Hydroxymethyl)-1,2,3,4-Tetrahydroisoquinoline-7-Sulfonamide
C16H17ClN2O3S (352.06483620000006)
(5e)-14-Chloro-15,17-Dihydroxy-4,7,8,9,10,11-Hexahydro-2-Benzoxacyclopentadecine-1,12(3h,13h)-Dione
C18H21ClO5 (352.10774460000005)
(2S,5R,6R)-4-hydroxy-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
C16H20N2O5S (352.10928700000005)
Thymelol
Daphnoretin (Dephnoretin), isolated from Wikstroemia indica, possesses antiviral activity[1]. Daphnoretin likes PMA, may direct activation of protein kinase C which in turn activated NADPH oxidase and elicited respiratory burst[2]. Daphnoretin (Dephnoretin), isolated from Wikstroemia indica, possesses antiviral activity[1]. Daphnoretin likes PMA, may direct activation of protein kinase C which in turn activated NADPH oxidase and elicited respiratory burst[2].
Petunidin chloride
Isolated from grapes. Petunidin 3-(p-coumaroylglucoside) is found in fruits and common grape.
Methyl 4-(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2,4-dimethoxybutanoate
Spiro[11-oxatricyclo[4.4.1.01,6]undeca-3,8-diene-10,3-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-2,5,7-triol
2-[4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydropyran-6-one
4-(4-deoxy-alpha-D-gluc-4-enosyluronic acid)-D-galacturonic acid
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-[(2S)-1-methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[3-(2-hydroxyethyl)-1H-indol-5-yl]oxy]oxane-2-carboxylate
1,4-Dioxo-8-hydroxy-3-(2-formyl-4-methyl-6-hydroxyphenyl)-1,4-dihydronaphthalene-2-carboxylic acid
2-[2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-hydroxyethenyl]-4-oxopent-2-enedioic acid
4-O-(3beta,4beta-Dihydroxy-6-carboxy-3,4-dihydro-2H-pyran-2beta-yl)-alpha-L-gulo-hexopyranuronic acid
(2R,3S,4S)-2-[(2S,3S,4R,5S,6R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
(2-Oxo-3-phosphonooxypropyl) 8-methyl-3-oxodecanoate
C14H25O8P (352.12869800000004)
[5-[(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)amino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate
3-chloro-6-methyl-N-[3-(4-morpholinyl)propyl]-1-benzothiophene-2-carboxamide
C17H21ClN2O2S (352.10121960000004)
N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thiophenyl]-2-methyl-3-pyrazolecarboxamide
N-[1-[(4-fluorophenyl)methyl]-4-pyrazolyl]-5-(2-furanyl)-3-isoxazolecarboxamide
4-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione
3-(4-Methoxyphenyl)-6-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
4-[(2,6-Diphenyl-4-pyrimidinyl)oxy]benzaldehyde
C23H16N2O2 (352.12117159999997)
1-[(2-Oxo-1,3-dihydroindol-5-yl)sulfonyl]-4-piperidinecarboxylic acid ethyl ester
C16H20N2O5S (352.10928700000005)
(3E)-3-(2-carbamothioylhydrazinylidene)-N-[4-chloro-2-(trifluoromethyl)phenyl]butanamide
3,4-dimethyl-N-[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]benzamide
2-(2-furyl)-3-{[(1E)-2-furylmethylene]amino}-7-nitro-2,3-dihydroquinazolin-4(1H)-one
N-(2-fluorophenyl)-2-[2-(4-thiazolyl)-1-benzimidazolyl]acetamide
N-(2-furanylmethyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
C16H20N2O5S (352.10928700000005)
2-Amino-9-(4-fluorophenyl)-4-methyl-7-oxo-6,7,8,9-tetrahydrothieno[2,3-b:4,5-b]dipyridine-3-carbonitrile
2-[[[5-Methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole
4-[[2-(Cyclohexylamino)-2-oxoethyl]thio]-3-nitrobenzoic acid methyl ester
C16H20N2O5S (352.10928700000005)
5-Carboxy-2-deoxyuridine 5-monophosphate
C10H13N2O10P (352.03078080000006)
A nucleoside monophosphate analogue that is 2-deoxyuridine-5-monophosphate in which the hydrogen at position 5 on the uracil ring is replaced by a carboxy group.
2-[[(4-Ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzothiazole
2-(3-acetyl-2-methyl-5-phenyl-1-pyrrolyl)-N-(thiophen-2-ylmethyl)acetamide
1-[[3-(4-Chlorophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-4-methyl-2-quinolinone
3-chloro-5-(cyclohexylamino)-6H-anthra[1,9-cd]isoxazol-6-one
2-[[Cyclohexyl(oxo)methyl]amino]acetic acid [2-(2-chloroanilino)-2-oxoethyl] ester
C17H21ClN2O4 (352.11897760000005)
(2S,3S,4S,5R)-6-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
N-(4-fluorophenyl)-7-methoxy-2-thieno[2,3-b]quinolinecarboxamide
2-(2,3-dihydro-1H-inden-5-ylamino)-8-fluoro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Tetrahydrofuran-2-ylmethyl 2-[(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy]propanoate
4-(4-deoxy-D-gluc-4-enosyluronic acid)-D-galacturonic acid
4-(4-deoxy-beta-D-gluc-4-enosyluronic acid)-D-galacturonic acid
2-(4-Chlorophenyl)sulfonyl-2-(phenylhydrazono)acetohydrazide
C14H13ClN4O3S (352.03968580000003)
6-[[1-[(4-Fluorophenyl)methyl]-2-pyrrolyl]methylidene]-5-imino-7-thiazolo[3,2-a]pyrimidinone
ethyl 2-[(5Z)-5-[(2-hydroxy-3-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
C14H12N2O7S (352.03652020000004)
[(Z)-[phenyl(pyridin-2-yl)methylidene]amino] naphthalene-1-carboxylate
C23H16N2O2 (352.12117159999997)
4-acetamido-N-(2-hydroxy-5-thiophen-2-ylphenyl)benzamide
C19H16N2O3S (352.08815860000004)
Ethyl 3-acetyl-4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-4,5-dihydropyrimidine-5-carboxylate
C16H17ClN2O3S (352.06483620000006)
3,4,5-Trihydroxy-6-[(1-oxoisochromen-3-yl)methoxy]oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-(6-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid
[3,5-dihydroxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl] hydrogen sulfite
2-Thiazolidineacetic acid, 4-carboxy-5,5-dimethyl-alpha-((phenylacetyl)amino)-
C16H20N2O5S (352.10928700000005)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
Arbutin 6-phosphate
C12H17O10P (352.05593120000003)
A beta-D-glucoside compound having a phosphate group at the 6-position and a 4-hydroxyphenyl substituent at the 1-position.
7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
C20H16O4S (352.07692560000004)
5-amino-6-(5-phospho-D-ribosylamino)uracil(2-)
The dianion resulting from the removal of two protons from the phosphate group of 5-amino-6-(5-phospho-D-ribosylamino)uracil.
N(4)-Acetylsulfadoxine
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
3-(2,4-Dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-methylethenyl)-4H-furo[2,3-h]-1-benzopyran-5-one
a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid
4-methylumbelliferone beta-D-glucuronide
A beta-D-glucosiduronic acid having a 4-methylumbelliferyl substituent at the anomeric position.
A-582941 (dihydrochloride)
A-582941 dihydrochloride is a potent, selective and brain-penetrant partial agonist of α7 nAChR, with Kis of 10.8 and 16.7 nM in rat brain membranes and human frontal cortex, respectively. A-582941 dihydrochloride also binds to human 5-HT3 receptor with a Ki of 150 nM. A-582941 has the potential for cognitive deficits associated with various neurodegenerative and psychiatric disorders research[1][2].
JNJ-46778212
C20H17FN2O3 (352.12231439999994)
JNJ-46778212 (VU 0409551) is an mGlu5 positive allosteric modulator with an EC50 of 260 nM.
Ro 10-5824 (dihydrochloride)
Ro 10-5824 dihydrochloride is a selective dopamine D4 receptor partial agonist, with Ki of 5.2 nM.